N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-tert-butylthiazol-2-yl)acetamide CAS Name: N-(4-tert-butyl-2-thiazolyl)-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-(4-tert-butyl-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-(4-tert-butylthiazol-2-yl)acetamide Formula: C23H25N4OS2+ MolecularWeight: 437.6008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS2/c1-23(2,3)19-14-29-21(25-19)26-20(28)15-30-22-24-17-11-7-8-12-18(17)27(22)13-16-9-5-4-6-10-16/h4-12,14H,13,15H2,1-3H3,(H,25,26,28)/p+1